NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4682 8.2931 120.3268 53.5942 34.3977 176.8358 2 G 4.5589 9.1748 116.4440 46.6733 0.0000 171.2990 3 C 3.9979 8.8448 121.4806 60.7277 27.3989 173.3069 4 G 3.9228 9.6658 103.7185 45.1808 0.0000 172.4729 5 A 4.6229 7.2028 119.8328 50.5159 22.1273 176.2166 6 S 4.5059 8.3927 114.9093 57.7717 63.3815 173.5921 7 S 4.5762 8.0960 119.2089 57.0969 66.0343 173.3376 8 E 3.7164 8.8161 117.6665 56.7137 27.0698 173.6058 9 N 4.2793 8.2377 118.3588 55.2220 37.7019 175.8523 10 S 4.4449 8.3721 107.6892 57.8930 65.6655 177.4758 11 S 3.4617 8.5344 128.5578 59.2804 62.3522 174.2350 12 V 4.2850 8.0121 126.6528 62.2336 34.0544 174.1855 13 T 4.2459 7.8790 122.2252 61.8611 71.3520 173.2900 14 Y 4.6174 8.0759 123.4286 56.6593 38.8459 174.9969 15 V 4.4541 8.3783 117.3139 63.6667 33.6885 177.6827 16 N 4.6524 8.5985 118.3709 53.3179 38.6213 175.7493 17 G 4.3011 6.6586 108.4531 45.4397 0.0000 172.0618 18 R 3.5447 7.8395 119.2390 53.5850 31.7305 175.0621 19 P 3.9487 0.0000 0.0000 62.7997 31.7917 177.0781 20 T 4.2225 8.0793 109.7124 62.2644 69.1476 174.1955 21 F 4.7900 7.6839 123.2504 56.4252 42.3227 174.0024 22 V 4.3039 6.9561 125.6497 61.0258 35.6731 172.9219 23 G 3.8537 8.7933 113.4284 45.6275 0.0000 172.5573 24 E 4.5151 7.7666 121.8237 57.1136 32.9270 173.5645 25 E 4.4933 8.0857 120.0622 54.8845 31.3438 174.1701 26 V 5.0272 8.3437 126.2105 61.6132 33.9243 174.4610 27 T 4.9439 8.8345 122.7574 62.0759 73.6027 172.4360 28 K 4.3426 8.4946 122.7601 55.4086 33.8965 176.2553 29 G 3.4797 8.6141 112.8777 49.0390 0.0000 173.5554 30 F 4.3432 7.8696 120.0708 56.3169 40.1549 175.9768 31 E 4.4229 8.5300 127.8991 55.0310 29.2990 175.8081 32 K 4.4616 7.4413 117.6591 56.0969 35.6982 176.2501 33 D 4.5716 8.6219 124.9230 53.3919 39.4517 173.7116 34 N 4.1851 9.0045 115.5760 55.6244 38.4957 176.0004 35 G 3.7299 8.2309 115.1834 44.5008 0.0000 171.3989 36 L 3.7504 7.1733 120.8005 54.0097 41.0168 172.6768 37 L 5.1312 7.3549 116.5508 53.4739 45.1952 174.8096 38 F 5.2775 8.8419 124.6621 55.7076 41.6604 174.7522 39 R 4.3097 10.0583 126.0925 56.0653 31.1344 174.8893 40 I 4.7525 8.5149 128.3102 59.6437 39.6368 175.0186 41 V 4.5497 8.4352 126.0032 61.0746 34.9632 173.5790 42 N 5.0458 8.8172 127.1946 51.7940 39.3563 175.1183 43 K 3.4997 8.9081 127.0052 59.3134 31.9430 178.1656 44 K 3.8510 7.6717 118.7114 59.2792 32.1336 177.1197 45 K 4.2332 8.5514 115.5879 56.0550 32.9065 177.7232 46 K 4.1764 8.8090 119.3584 57.1448 30.3329 173.9637 47 Q 5.0343 7.5406 117.0018 54.5338 30.6947 175.0613 48 W 4.9642 9.6704 123.9003 56.5470 31.0334 175.1719 49 A 4.8008 8.8737 123.1558 50.8391 22.4173 174.8015 50 Y 5.1022 8.4545 117.2961 56.2679 41.4906 174.0930 51 Y 4.9562 8.5966 123.9497 55.8024 40.6362 173.8600 52 N 4.6901 7.6892 124.1860 52.7380 39.9843 174.5153 53 D 4.6209 8.4078 125.7504 56.2553 42.2083 177.1273 54 T 3.9939 7.9034 108.0784 62.4958 68.9069 173.5303 55 T 4.4592 8.5109 113.7420 61.3658 69.4782 174.5632 56 Q 4.2789 7.6966 118.7861 55.7755 30.7504 174.2444 57 Y 5.0118 7.6766 116.8445 56.0039 41.3231 174.6116 58 E 4.4301 9.4306 122.0598 55.6677 32.0945 174.9875 59 M 4.4974 8.2236 122.9615 54.7527 33.3658 174.6585 60 H 4.9379 8.4943 121.0371 53.9617 31.6726 173.5258 61 V 4.1577 8.1131 123.6716 61.1072 33.7046 174.5496 62 L 4.5470 8.4707 129.2740 53.4754 44.0256 173.5988 63 V 4.8740 8.5749 124.4193 60.9796 34.3463 173.9338 64 T 4.5824 8.8840 124.4786 61.8002 70.9581 173.6308 65 F 5.4291 9.1889 124.1132 55.5323 42.7814 174.4771 66 N 4.8949 8.6898 119.6752 53.3641 39.3540 174.5125 67 E 4.2709 8.6281 124.8483 59.6069 29.7882 178.3496 68 D 4.7175 8.0519 118.9119 53.1135 39.2038 173.5867 69 C 4.3669 7.5890 117.0084 58.3600 32.1734 174.5204 70 D 4.5416 8.2212 123.5893 52.9903 39.1768 174.7375 71 I 4.6218 7.0927 114.7903 58.1251 41.2059 174.6719 72 K 4.4058 9.0417 124.1042 54.5608 36.2828 174.1898 73 A 4.7501 8.2105 124.2344 50.2101 20.9678 176.2821 74 L 4.4329 8.8134 121.7477 52.1027 45.2322 177.8229 75 G 3.8385 8.5634 109.0593 47.2352 0.0000 174.5121 76 K 4.3310 8.5790 123.1206 56.6977 33.1901 176.9600 77 T 3.9400 7.6326 117.0129 64.7002 69.1847 173.3875 78 K 4.3178 8.5443 127.2679 55.7674 33.5789 175.0806 79 L 5.7366 8.8129 129.0686 52.3434 44.5778 175.0160 80 E 4.9400 8.9095 122.3912 55.2123 33.1685 173.5003 81 Q 4.5122 8.3225 121.6701 54.5220 31.3378 174.6506 82 Q 4.5250 8.1574 123.6329 53.9960 31.1446 176.7571 83 E 3.9361 8.6574 118.3491 59.2613 29.8429 178.2565 84 N 4.2422 7.9578 116.0998 54.2032 38.1159 175.1695 85 G 4.0071 8.6423 107.8630 45.4900 0.0000 172.2568 86 E 4.9733 7.2983 116.3311 54.5656 35.0918 176.1090 87 W 5.2178 9.5468 122.5322 55.2411 32.0161 175.3847 88 V 4.9067 8.9917 122.7952 61.1526 34.2435 174.2628 89 A 5.6563 9.3508 128.5815 49.6561 22.3322 174.8563 90 S 5.5027 8.9647 116.6975 56.3419 66.7716 173.5790 91 V 4.5145 8.0903 118.6658 60.9628 34.2637 171.8413 92 V 4.4203 8.3366 123.6233 61.2436 33.1836 174.7196 93 V 4.1714 8.1037 127.2132 61.2561 33.8003 174.1449 94 Y 4.7287 8.1531 124.8881 55.9842 39.5126 173.8130 95 P 4.7194 0.0000 0.0000 63.1756 32.0098 175.8949 96 C 4.5985 7.8346 114.8550 60.2336 25.0116 172.9223 97 E 4.8559 7.5300 117.0729 55.3619 32.5287 173.6056 98 T 5.0485 8.3660 118.7008 61.9747 72.4399 173.1326 99 E 4.8939 8.5294 124.1768 54.7224 33.9797 175.2269 100 M 4.3621 8.6354 120.8924 56.4396 33.5917 176.4059 101 F 5.0948 9.1683 122.4998 58.3579 41.8242 176.8990 102 I 4.5693 8.8351 108.1176 58.9393 41.6030 174.9790 103 E 4.7333 8.6741 122.3441 55.5313 33.4174 173.4852 104 G 3.7039 7.7043 108.4446 43.9975 0.0000 172.7068 105 R 4.3695 8.8778 120.8535 55.1276 31.8833 176.7411 106 V 4.3758 8.1961 125.3777 61.0585 33.5139 174.1784 107 N 4.8723 8.6355 125.6182 52.8439 41.7638 173.5017 108 G 3.9833 9.5281 111.2794 46.5402 0.0000 171.1547 109 F 5.2529 7.8749 118.1675 54.8776 41.5982 173.8104 110 K 4.5439 9.4414 119.3697 54.7117 34.9786 175.2869 111 S 5.1016 8.6243 119.9273 56.6045 65.5331 173.4974 112 K 4.4994 8.9526 124.8528 55.0798 35.0551 174.8781 113 M 5.1926 8.3937 125.3007 52.9296 36.2427 173.3828 114 D 4.8269 8.4681 117.9873 53.9376 45.4085 173.7516 115 A 4.7394 8.3146 121.7828 49.8514 19.4104 175.3666 116 L 4.6265 8.3682 119.7875 53.1171 44.0295 174.3074 117 P 4.5762 0.0000 0.0000 62.4009 32.2993 174.6113 118 L 3.9239 7.7416 123.4966 54.7550 42.0822 177.4196 119 S 4.4908 9.1251 121.2996 57.5008 63.8351 175.4865 120 E 4.0124 8.8489 119.2343 59.8447 28.7343 178.8934 121 E 3.9770 8.3007 118.1440 59.4891 29.3864 178.3404 122 Y 3.5411 8.1826 120.4701 60.4535 38.6037 178.3048 123 R 3.6133 7.5281 117.8665 59.2680 30.4483 178.5487 124 Q 3.9749 7.8445 118.8235 59.2686 29.2245 177.3349 125 H 3.9603 8.0129 119.4353 59.2907 29.4599 177.1281 126 Q 3.7151 7.1699 118.7659 58.7680 28.5563 178.4206 127 A 4.1367 7.7395 121.7975 55.1128 18.1477 179.5550 128 E 3.8742 7.7827 115.8916 59.3729 29.6173 179.1403 129 K 4.0938 7.3833 117.7180 58.4862 32.3135 176.6165 130 D 4.5787 7.0293 114.9957 52.8276 42.3191 175.3334 131 K 4.0289 8.2981 120.1601 57.0455 32.0583 175.3533 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.29 4.47 0.00 2.02 2.20 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 2 G 9.17 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 C 8.84 4.00 0.00 3.14 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 G 9.67 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 A 7.20 4.62 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.39 4.51 0.00 3.84 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.10 4.58 0.00 3.95 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.82 3.72 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 9 N 8.24 4.28 0.00 2.85 2.96 0.00 0.00 6.16 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.37 4.44 0.00 3.79 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.53 3.46 0.00 3.91 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.01 4.29 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 0.89 0.00 0.00 13 T 7.88 4.25 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 14 Y 8.08 4.62 0.00 2.89 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.38 4.45 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 1.01 0.00 0.00 16 N 8.60 4.65 0.00 3.08 3.04 0.00 0.00 7.43 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 6.66 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 7.84 3.54 0.00 1.61 1.60 0.00 3.42 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 19 P 0.00 3.95 0.00 2.23 1.56 0.00 2.76 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.31 0.00 20 T 8.08 4.22 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 21 F 7.68 4.79 0.00 3.12 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 6.96 4.30 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.77 0.00 0.00 23 G 8.79 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 7.77 4.52 0.00 1.82 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 25 E 8.09 4.49 0.00 2.12 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 26 V 8.34 5.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.94 0.00 0.00 27 T 8.83 4.94 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 28 K 8.49 4.34 0.00 1.49 1.56 0.00 1.54 0.00 0.00 1.73 0.00 0.00 2.73 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.31 1.37 7.81 29 G 8.61 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 7.87 4.34 0.00 2.95 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.53 4.42 0.00 1.90 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 32 K 7.44 4.46 0.00 1.69 1.59 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.50 7.81 33 D 8.62 4.57 0.00 2.91 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 N 9.00 4.19 0.00 2.87 3.09 0.00 0.00 6.84 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.23 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.17 3.75 0.00 1.80 1.47 0.59 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.35 5.13 0.00 1.84 1.66 1.10 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 38 F 8.84 5.28 0.00 3.40 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 10.06 4.31 0.00 1.99 1.75 0.00 2.75 0.00 0.00 2.43 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.20 0.00 40 I 8.51 4.75 2.12 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.86 1.16 0.00 0.00 41 V 8.44 4.55 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.04 0.00 0.00 42 N 8.82 5.05 0.00 3.02 2.89 0.00 0.00 6.87 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.91 3.50 0.00 1.81 1.91 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.47 7.81 44 K 7.67 3.85 0.00 1.72 2.00 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.48 7.81 45 K 8.55 4.23 0.00 2.01 2.01 0.00 2.20 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.45 7.81 46 K 8.81 4.18 0.00 1.85 2.01 0.00 1.82 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.59 1.51 7.81 47 Q 7.54 5.03 0.00 2.22 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.70 6.99 0.00 0.00 0.00 0.00 0.00 2.47 2.39 0.00 48 W 9.67 4.96 0.00 3.58 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.87 4.80 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Y 8.45 5.10 0.00 3.06 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 8.60 4.96 0.00 3.10 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 N 7.69 4.69 0.00 2.61 2.60 0.00 0.00 6.34 8.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.41 4.62 0.00 3.18 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 7.90 3.99 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 55 T 8.51 4.46 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 56 Q 7.70 4.28 0.00 1.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.51 6.91 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 57 Y 7.68 5.01 0.00 2.78 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 9.43 4.43 0.00 1.89 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 59 M 8.22 4.50 0.00 1.92 1.93 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 60 H 8.49 4.94 0.00 3.14 3.17 0.00 5.59 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.11 4.16 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 -0.13 0.00 0.00 62 L 8.47 4.55 0.00 1.70 1.60 0.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 63 V 8.57 4.87 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.14 0.00 0.00 64 T 8.88 4.58 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 65 F 9.19 5.43 0.00 3.11 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 N 8.69 4.89 0.00 2.91 2.85 0.00 0.00 7.15 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.63 4.27 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 68 D 8.05 4.72 0.00 2.72 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 C 7.59 4.37 0.00 2.89 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.22 4.54 0.00 2.76 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 7.09 4.62 0.99 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.06 0.27 0.00 0.00 72 K 9.04 4.41 0.00 1.43 1.40 0.00 1.49 0.00 0.00 1.51 0.00 0.00 2.73 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.14 1.15 7.81 73 A 8.21 4.75 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.81 4.43 0.00 1.51 1.53 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.56 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.58 4.33 0.00 1.89 1.96 0.00 1.54 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.56 7.81 77 T 7.63 3.94 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 78 K 8.54 4.32 0.00 1.98 1.74 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.43 7.81 79 L 8.81 5.74 0.00 1.61 1.52 1.20 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.91 4.94 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 81 Q 8.32 4.51 0.00 0.93 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 1.65 1.23 0.00 82 Q 8.16 4.52 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.54 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 83 E 8.66 3.94 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 84 N 7.96 4.24 0.00 2.82 2.97 0.00 0.00 6.28 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.64 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 7.30 4.97 0.00 1.83 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 87 W 9.55 5.22 0.00 3.50 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.99 4.91 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.97 0.00 0.00 89 A 9.35 5.66 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 S 8.96 5.50 0.00 3.93 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.09 4.51 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.99 0.00 0.00 92 V 8.34 4.42 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.87 0.00 0.00 93 V 8.10 4.17 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.91 0.00 0.00 94 Y 8.15 4.73 0.00 3.09 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.72 0.00 2.21 2.17 0.00 4.18 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.22 0.00 96 C 7.83 4.60 0.00 3.32 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 E 7.53 4.86 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 98 T 8.37 5.05 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 99 E 8.53 4.89 0.00 1.96 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 100 M 8.64 4.36 0.00 1.84 1.97 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.33 0.00 101 F 9.17 5.09 0.00 3.36 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.84 4.57 1.10 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.20 -0.78 0.00 0.00 103 E 8.67 4.73 0.00 1.89 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.42 0.00 104 G 7.70 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 R 8.88 4.37 0.00 1.79 1.69 0.00 3.04 0.00 0.00 3.07 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 106 V 8.20 4.38 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.29 0.00 0.00 107 N 8.64 4.87 0.00 2.76 2.85 0.00 0.00 7.75 8.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 G 9.53 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 F 7.87 5.25 0.00 3.17 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 K 9.44 4.54 0.00 1.60 1.65 0.00 1.56 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.25 1.33 7.81 111 S 8.62 5.10 0.00 3.77 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.95 4.50 0.00 1.75 1.65 0.00 1.55 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.35 7.81 113 M 8.39 5.19 0.00 1.91 1.50 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 114 D 8.47 4.83 0.00 2.80 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.31 4.74 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 8.37 4.63 0.00 1.69 1.57 0.56 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 117 P 0.00 4.58 0.00 2.06 2.10 0.00 3.84 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 118 L 7.74 3.92 0.00 1.42 1.30 -0.06 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 119 S 9.13 4.49 0.00 4.22 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.85 4.01 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 121 E 8.30 3.98 0.00 2.32 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.65 0.00 122 Y 8.18 3.54 0.00 3.08 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 R 7.53 3.61 0.00 1.88 1.91 0.00 3.22 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 124 Q 7.84 3.97 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 125 H 8.01 3.96 0.00 2.75 2.80 0.00 5.84 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 Q 7.17 3.72 0.00 1.94 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.65 0.00 0.00 0.00 0.00 0.00 1.91 1.79 0.00 127 A 7.74 4.14 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 E 7.78 3.87 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 129 K 7.38 4.09 0.00 1.82 1.82 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.12 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.28 7.81 130 D 7.03 4.58 0.00 2.66 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.30 4.03 0.00 1.66 1.62 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.40 7.81